Butyl Gallate

CAT: 0127-OR1012579-01Size: 1 gDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR1012579-01Size:1 g

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

1083-41-6

MDL Number

MFCD00016432

Purity

98%

Smiles

OC1=CC(C(OCC(C)C)=O)=CC(O)=C1O

Chemical Information

Butyl Gallate

butyl gallate has been reported in Alchornea glandulosa with data available.

CAS Number	1083-41-6
PubChem CID	14128
IUPAC Name	butyl 3,4,5-trihydroxybenzoate
Molecular Formula	C11H14O5
Molecular Weight	226.23
XLogP	2.4
Topological Polar Surface Area	87
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	16
Formal Charge	0
Complexity	218

SMILES

CCCCOC(=O)C1=CC(=C(C(=C1)O)O)O

InChI

InChI=1S/C11H14O5/c1-2-3-4-16-11(15)7-5-8(12)10(14)9(13)6-7/h5-6,12-14H,2-4H2,1H3

InChIKey

XOPOEBVTQYAOSV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1083-41-6

CID: 14128

Formula: C11H14O5

MW: 226.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	226.23
XLogP3	2.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	226.08412354
Monoisotopic Mass	226.08412354
Topological Polar Surface Area	87 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	218
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-486480	Butyl gallate
B29060	Butyl Gallate 97%
FB71027-01	N-Butyl gallate - 92%
DD1261	Dodecyl gallate (Lauryl gallate)
B4965-20	(-)-epicatechin gallate
E065-100MG	Epigallocatechin gallate
FH70971-01	Hexyl gallate
FG166941-01	(+) -Gallocatechin gallate
FO33334-01	Octyl gallate
FN70716-01	Nonyl gallate